| CAS Number | 1375471-48-9 |
| Catalog Number | AG019TVM(AGN-PC-0WO2UR) |
| Chemical Name | 5-Chloro-2-(oxolan-3-yloxy)benzonitrile |
| IUPAC Name | 5-chloro-2-(oxolan-3-yloxy)benzonitrile |
| InChI | InChI=1S/C11H10ClNO2/c12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10/h1-2,5,10H,3-4,7H2 |
| InChI Key | YBBMOMLSAPSIDM-UHFFFAOYSA-N |
| MDL Number | MFCD18364780 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.6556 |
| SMILES | ClC1=CC(C#N)=C(OC2COCC2)C=C1 |
| Synonyms | 5-chloro-2-(oxolan-3-yloxy)benzonitrile,
1375471-48-9,
AKOS012867817,
MCULE-8662351145,
NE18073,
EN300-99358,
Z1333043364,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.656g/mol |
| Monoisotopic Mass | 223.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number